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CHEBI:172272 - TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:3n6)

ChEBI IDCHEBI:172272
ChEBI NameTG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:3n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H108O6
Net Charge0
Average Mass961.551
Monoisotopic Mass960.81459
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,38,40,43,60H,4-16,19,22-24,30-33,36-37,39,41-42,44-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,38-35-,43-40-/t60-/m0/s1
InChIKeyPNEWRAIJNFNZRF-XSCZIMBPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:3n6) (CHEBI:172272) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0053029HMDB
59661773ChemSpider